TT 39: Focused Session: Frontiers of Electronic Structure Theory 4 (jointly with HL and O)
Mittwoch, 13. März 2013, 10:30–13:30, H36
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10:30 |
TT 39.1 |
Topical Talk:
Challenges in data-intensive computational materials design: methodology and infrastructure. — •Boris Kozinsky
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11:00 |
TT 39.2 |
DFT+U(ω): A simplified approach for dynamical Hubbard corrections to DFT: — •David D. O'Regan and Nicola Marzari
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11:15 |
TT 39.3 |
Effective onsite interactions for materials with strong non-local Coulomb interactions — •Malte Schüler, Alexander Lichtenstein, Mikhail I. Katsnelson, and Tim Wehling
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11:30 |
TT 39.4 |
First-principles calculation of Hubbard U parameters for half-metallic ferromagnets — •Ersoy Sasioglu, Christoph Friedrich, and Stefan Blügel
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11:45 |
TT 39.5 |
Magnetic Spectroscopies with DFT + Hubbard (U,V) — •Emine Kucukbenli, Davide Ceresoli, and Nicola Marzari
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12:00 |
TT 39.6 |
The magnetization of periodic solids from time-dependent current-density-functional theory. — •Arjan Berger, Nathaniel Raimbault, Paul de Boeij, and Pina Romaniello
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12:15 |
TT 39.7 |
Structure, charge order, phonons and IR spectra of magnetite — •Charles Patterson
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12:30 |
TT 39.8 |
Crystalline and Magnetic Anisotropy of the 3d Transistion-Metal Oxides — •Andreas Schrön, Claudia Rödl, and Friedhelm Bechstedt
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12:45 |
TT 39.9 |
Electronic Structure and Magnetic interactions in 5d Ir oxide compounds — •Vamshi Mohan Katukuri, Viktor Yushankhai, Radu Coldea, Liviu Hozoi, and Jeroen van den Brink
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13:00 |
TT 39.10 |
Bulk electronic structure of the diluted magnetic semiconductor GaMnAs through hard x-ray angle resolved photoemission — •Jan Minar, Igor diMarco, J. Braun, H. Ebert, A.X. Gray, and Ch. Fadley
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13:15 |
TT 39.11 |
Magnetic state of pyrochlore Cd2Os2O7 emerging from strong competition of ligand distortions and longer-range crystal anisotropy — •Nikolay Bogdanov, Remi Maurice, Ioannis Rousochatzakis, Jeroen van den Brink, and Liviu Hozoi
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